SCHEMBL13290349

SCHEMBL13290349

CCS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.78
▸ GNB1 P62873 5/20 0.78
▸ PHLPP2 Q6ZVD8 2/20 0.78
▸ CYP1A2 P05177 2/20 0.78
▸ CYP2C9 P11712 2/20 0.78
▸ ALOX15 P16050 2/20 0.78
▸ HSD17B10 Q99714 2/20 0.78
▸ ALDH1A1 P00352 1/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ HPGD P15428 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ HIF1A Q16665 1/20 0.78
▸ P2RY4 P51582 10/20 0.70
▸ CHAT P28329 2/20 0.61
▸ ENPP3 O14638 1/20 0.61
▸ ENPP1 P22413 1/20 0.61
▸ P2RY2 P41231 5/20 0.57
▸ P2RY12 Q9H244 5/20 0.57
▸ P2RY6 Q15077 3/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13214229 0.90 GNG2 (0.87) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL10017872 0.90 GNG2 (0.76) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL19708510 0.90 GNG2 (0.76) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL791497 0.89 GNG2 (0.85) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL11598798 0.89 GNG2 (0.74) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL16541422 0.89 GNG2 (0.68) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL13880581 0.89 GNG2 (0.68) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL2781947 0.88 GNG2 (1.00) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL2687745 0.87 GNG2 (0.71) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL30870099 0.87 GNG2 (0.71) GNG2GNB1PHLPP2CYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7736781-B2 Proton conductive polymer and fuel cell KABUSHIKI KAISHA TOSHIBA (JP) 2010-06-15 — — US disclosed
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